1-benzyl-3-(3-chloro-5-methylphenyl)-3-(trifluoromethyl)pyrrolidine

C19H19ClF3N — CID 66836555

IUPAC1-benzyl-3-(3-chloro-5-methylphenyl)-3-(trifluoromethyl)pyrrolidine
SMILESCc1cc(Cl)cc(C2(C(F)(F)F)CCN(Cc3ccccc3)C2)c1
InChIInChI=1S/C19H19ClF3N/c1-14-9-16(11-17(20)10-14)18(19(21,22)23)7-8-24(13-18)12-15-5-3-2-4-6-15/h2-6,9-11H,7-8,12-13H2,1H3
InChIKeyMBXOPSPVSPPYBB-UHFFFAOYSA-N
MW353.82 g/mol
LogP5.35
Rot. Bonds3

About 1-benzyl-3-(3-chloro-5-methylphenyl)-3-(trifluoromethyl)pyrrolidine

1-benzyl-3-(3-chloro-5-methylphenyl)-3-(trifluoromethyl)pyrrolidine (PubChem CID 66836555) has the molecular formula C19H19ClF3N and a molecular weight of 353.82 g/mol. Its IUPAC name is 1-benzyl-3-(3-chloro-5-methylphenyl)-3-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name1-benzyl-3-(3-chloro-5-methylphenyl)-3-(trifluoromethyl)pyrrolidine
PubChem CID66836555
Molecular FormulaC19H19ClF3N
Molecular Weight353.82 g/mol
Exact Mass353.12
IUPAC Name1-benzyl-3-(3-chloro-5-methylphenyl)-3-(trifluoromethyl)pyrrolidine
SMILESCc1cc(Cl)cc(C2(C(F)(F)F)CCN(Cc3ccccc3)C2)c1
InChIInChI=1S/C19H19ClF3N/c1-14-9-16(11-17(20)10-14)18(19(21,22)23)7-8-24(13-18)12-15-5-3-2-4-6-15/h2-6,9-11H,7-8,12-13H2,1H3
InChIKeyMBXOPSPVSPPYBB-UHFFFAOYSA-N
XLogP5.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.82
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-3-(trifluoromethyl)pyrrolidin-3-amine
CID 53403180
1-[5-[1-benzyl-3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859036
CID 88576932
CID 88576932
2-chloro-6-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]-3-methylpyridine
CID 25100545
1-benzyl-3-(4-chlorophenyl)-3-propan-2-ylpyrrolidine
CID 171593524
2-[4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]phenyl]ethanesulfonic acid
CID 87122893
1-benzyl-4-(4-chlorophenyl)-4-fluoropiperidine
CID 18675820
1-benzyl-3-methylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid
CID 159201320
(3R)-1-benzyl-3-(4-fluorophenyl)sulfinyl-3-(4-methylphenyl)pyrrolidine
CID 144882442
N-[(1-benzyl-3-methylpyrrolidin-3-yl)methyl]-2,2,2-trifluoroacetamide
CID 130485423
(1-benzyl-3-methoxypyrrolidin-3-yl)methanol
CID 19382171
1-benzyl-3-(2,4-dimethylphenyl)pyrrolidin-3-amine
CID 130137268

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(3-chloro-5-methylphenyl)-3-(trifluoromethyl)pyrrolidine?
The IUPAC name of 1-benzyl-3-(3-chloro-5-methylphenyl)-3-(trifluoromethyl)pyrrolidine (CID 66836555) is 1-benzyl-3-(3-chloro-5-methylphenyl)-3-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for 1-benzyl-3-(3-chloro-5-methylphenyl)-3-(trifluoromethyl)pyrrolidine?
The canonical SMILES for 1-benzyl-3-(3-chloro-5-methylphenyl)-3-(trifluoromethyl)pyrrolidine is Cc1cc(Cl)cc(C2(C(F)(F)F)CCN(Cc3ccccc3)C2)c1.
What is the InChIKey of 1-benzyl-3-(3-chloro-5-methylphenyl)-3-(trifluoromethyl)pyrrolidine?
The InChIKey is MBXOPSPVSPPYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3N/c1-14-9-16(11-17(20)10-14)18(19(21,22)23)7-8-24(13-18)12-15-5-3-2-4-6-15/h2-6,9-11H,7-8,12-13H2,1H3.
What are the key properties of 1-benzyl-3-(3-chloro-5-methylphenyl)-3-(trifluoromethyl)pyrrolidine?
1-benzyl-3-(3-chloro-5-methylphenyl)-3-(trifluoromethyl)pyrrolidine has a molecular weight of 353.82 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(3-chloro-5-methylphenyl)-3-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 66836555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).